element=lattice type=modelname=Cu bcc Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.004488 Iterations: 27 Function evaluations: 54 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.502244111509171, 'space_group': 'Im-3m', 'element': 'Cu', 'lattice_constant': 2.931863449513912, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 27, 'warnflag': 0, 'species': 'Cu" "Cu', 'func_calls': 54}